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Cythioate

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Synopsis

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Chemistry

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Also known as: 115-93-5, Proban, Cyflee, American cl-26691, American cyanamid cl-26,691, Cl 26691

Molecular Formula

C₈H₁₂NO₅PS₂

Molecular Weight

297.3 g/mol

InChI Key

BSBSDQUZDZXGFN-UHFFFAOYSA-N

FDA UNII

3OOH7Q4333

Cythioate is a member of the organothiophosphate compounds that is used as an insecticide and anthelmintic. It is mainly used in veterinary as a treatment for fleas.

1 2D Structure

Cythioate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-dimethoxyphosphinothioyloxybenzenesulfonamide

2.1.2 InChI

InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)

2.1.3 InChI Key

BSBSDQUZDZXGFN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N

2.2 Other Identifiers

2.2.1 UNII

3OOH7Q4333

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cyflee

2.3.2 Depositor-Supplied Synonyms

1. 115-93-5

2. Proban

3. Cyflee

4. American Cl-26691

5. American Cyanamid Cl-26,691

6. Cl 26691

7. Cythioate [ban]

8. Cythoate

9. Ent 25,640

10. Nsc 310287

11. O,o-dimethyl O-(4-sulphamoylphenyl) Thiophosphate

12. Ac 26,691

13. American Cl-26,691

14. Brn 2148114

15. O,o-dimethyl O-p-sulfamoylphenyl Phosphorothioate

16. O,o-dimethyl O-4-sulfamoylphenyl Phosphorothioate

17. O,o-dimethyl O-(4-sulfamoylphenyl) Phosphorothioate

18. 4-dimethoxyphosphinothioyloxybenzenesulfonamide

19. O-(4-(aminosulfonyl)phenyl) O,o-dimethyl Phosphorothioate

20. Nsc-310287

21. Phosphorothioic Acid, O-[4-(aminosulfonyl)phenyl] O,o-dimethyl Ester

22. 3ooh7q4333

23. Cythioate (ban)

24. Benzenesulfonamide, P-hydroxy-, O-ester With O,o-dimethyl Phosphorothioate

25. Ncgc00182551-01

26. Phosphorothioic Acid, O-(4-(aminosulfonyl)phenyl) O,o-dimethyl Ester

27. Phosphorothioic Acid, O,o-dimethyl Ester, O-ester With P-hydroxybenzenesulfonamide

28. Proban (van)

29. Caswell No. 272b

30. Einecs 204-115-9

31. Epa Pesticide Chemical Code 059501

32. Unii-3ooh7q4333

33. Ai3-25640

34. O,o-dimethyl O-4-sulphamoylphenyl Phosphorothioate

35. O,o-dimethyl-o-(p-sulfamoylphenyl)-phosphorothioate

36. Proban (tn)

37. Cythioate [mi]

38. Cythioate [mart.]

39. Dsstox_cid_21828

40. Dsstox_rid_79854

41. Dsstox_gsid_41828

42. Schembl118958

43. Cythioate [green Book]

44. Chembl2104588

45. Dtxsid8041828

46. O,o-dimethyl O-(4-(aminosulfonyl)phenyl) Phosphorothioate

47. Zinc1569224

48. Tox21_113080

49. Nsc310287

50. O,o-dimethyl Phosphorothioate O-ester With P-hydroxybenzenesulfonamide

51. Db11392

52. Wln: Zswr Dops & O1 & O1

53. Cas-115-93-5

54. Db-041294

55. Ft-0603143

56. Cythioate, Pestanal(r), Analytical Standard

57. D07768

58. 115c935

59. Sr-01000945023

60. O,o-dimethyl O-(4-sulfamoyl Phenyl)phosphorothioate

61. Q5201320

62. Sr-01000945023-1

63. O-[4-(aminosulfonyl)phenyl] O,o-dimethyl Thiophosphate #

64. Benzenesulfonamide, O-ester With O,o-dimethyl Phosphorothioate

65. Phosphorothioic Acid,o-dimethyl Ester, O-ester With P-hydroxybenzenesulfonamide

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂NO₅PS₂
Molecular Weight	297.3 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	296.98945183 g/mol
Monoisotopic Mass	296.98945183 g/mol
Topological Polar Surface Area	128 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	377
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Insecticides

Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)

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